N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine

C11H16N6O2S — CID 47406251

IUPACN-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
SMILESCS(=O)(=O)N1CCCC(Nc2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6O2S/c1-20(18,19)17-4-2-3-8(5-17)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyOBIPVGTUSTXIOQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.19
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine

N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine (PubChem CID 47406251) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
PubChem CID47406251
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
SMILESCS(=O)(=O)N1CCCC(Nc2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H16N6O2S/c1-20(18,19)17-4-2-3-8(5-17)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyOBIPVGTUSTXIOQ-UHFFFAOYSA-N
XLogP0.19
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154801658
1-[3-(7H-purin-6-ylamino)pyrrolidin-1-yl]propan-1-one
CID 133366498
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
CID 133320076
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 58896827

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine (CID 47406251) is N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine is CS(=O)(=O)N1CCCC(Nc2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine?
The InChIKey is OBIPVGTUSTXIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-20(18,19)17-4-2-3-8(5-17)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine?
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine has a molecular weight of 296.36 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 47406251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).